2-(cyclopropylmethylamino)-4-morpholin-4-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol

C14H24N2O4 — CID 74419552

IUPAC2-(cyclopropylmethylamino)-4-morpholin-4-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol
SMILESOC1C(NCC2CC2)C2COC(O2)C1N1CCOCC1
InChIInChI=1S/C14H24N2O4/c17-13-11(15-7-9-1-2-9)10-8-19-14(20-10)12(13)16-3-5-18-6-4-16/h9-15,17H,1-8H2
InChIKeyYBWSXMLVMXJZLU-UHFFFAOYSA-N
MW284.36 g/mol
LogP-0.83
Rot. Bonds4

About 2-(cyclopropylmethylamino)-4-morpholin-4-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol

2-(cyclopropylmethylamino)-4-morpholin-4-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol (PubChem CID 74419552) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-4-morpholin-4-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-4-morpholin-4-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol
PubChem CID74419552
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name2-(cyclopropylmethylamino)-4-morpholin-4-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol
SMILESOC1C(NCC2CC2)C2COC(O2)C1N1CCOCC1
InChIInChI=1S/C14H24N2O4/c17-13-11(15-7-9-1-2-9)10-8-19-14(20-10)12(13)16-3-5-18-6-4-16/h9-15,17H,1-8H2
InChIKeyYBWSXMLVMXJZLU-UHFFFAOYSA-N
XLogP-0.83
TPSA63.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-4-morpholin-4-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 2-(cyclopropylmethylamino)-4-morpholin-4-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol (CID 74419552) is 2-(cyclopropylmethylamino)-4-morpholin-4-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 2-(cyclopropylmethylamino)-4-morpholin-4-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 2-(cyclopropylmethylamino)-4-morpholin-4-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol is OC1C(NCC2CC2)C2COC(O2)C1N1CCOCC1.
What is the InChIKey of 2-(cyclopropylmethylamino)-4-morpholin-4-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol?
The InChIKey is YBWSXMLVMXJZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c17-13-11(15-7-9-1-2-9)10-8-19-14(20-10)12(13)16-3-5-18-6-4-16/h9-15,17H,1-8H2.
What are the key properties of 2-(cyclopropylmethylamino)-4-morpholin-4-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol?
2-(cyclopropylmethylamino)-4-morpholin-4-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol has a molecular weight of 284.36 g/mol, XLogP of -0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-4-morpholin-4-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 74419552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).